N-[4-[1-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide

C25H23N5O2 — CID 155536359

IUPACN-[4-[1-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide
SMILESCOc1ccc(-c2ccc(Cn3cc(-c4ccc(NC(=O)C5CC5)cc4)nn3)cc2)cn1
InChIInChI=1S/C25H23N5O2/c1-32-24-13-10-21(14-26-24)18-4-2-17(3-5-18)15-30-16-23(28-29-30)19-8-11-22(12-9-19)27-25(31)20-6-7-20/h2-5,8-14,16,20H,6-7,15H2,1H3,(H,27,31)
InChIKeySKSPKMMFLRTXTH-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.41
Rot. Bonds7

About N-[4-[1-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide

N-[4-[1-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide (PubChem CID 155536359) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[4-[1-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide
PubChem CID155536359
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC NameN-[4-[1-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide
SMILESCOc1ccc(-c2ccc(Cn3cc(-c4ccc(NC(=O)C5CC5)cc4)nn3)cc2)cn1
InChIInChI=1S/C25H23N5O2/c1-32-24-13-10-21(14-26-24)18-4-2-17(3-5-18)15-30-16-23(28-29-30)19-8-11-22(12-9-19)27-25(31)20-6-7-20/h2-5,8-14,16,20H,6-7,15H2,1H3,(H,27,31)
InChIKeySKSPKMMFLRTXTH-UHFFFAOYSA-N
XLogP4.41
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide (CID 155536359) is N-[4-[1-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide is COc1ccc(-c2ccc(Cn3cc(-c4ccc(NC(=O)C5CC5)cc4)nn3)cc2)cn1.
What is the InChIKey of N-[4-[1-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is SKSPKMMFLRTXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-32-24-13-10-21(14-26-24)18-4-2-17(3-5-18)15-30-16-23(28-29-30)19-8-11-22(12-9-19)27-25(31)20-6-7-20/h2-5,8-14,16,20H,6-7,15H2,1H3,(H,27,31).
What are the key properties of N-[4-[1-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide?
N-[4-[1-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 425.49 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 155536359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).